(3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate

C21H23ClNO3- — CID 7300065

IUPAC(3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
SMILESCC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO3/c1-21(2,3)16-8-6-15(7-9-16)18(13-20(25)26)23-19(24)12-14-4-10-17(22)11-5-14/h4-11,18H,12-13H2,1-3H3,(H,23,24)(H,25,26)/p-1/t18-/m0/s1
InChIKeyKCUDHBKZLOGBGM-SFHVURJKSA-M
MW372.87 g/mol
LogP3.18
Rot. Bonds6

About (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate

(3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate (PubChem CID 7300065) has the molecular formula C21H23ClNO3- and a molecular weight of 372.87 g/mol. Its IUPAC name is (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Name(3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
PubChem CID7300065
Molecular FormulaC21H23ClNO3-
Molecular Weight372.87 g/mol
Exact Mass372.14
IUPAC Name(3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
SMILESCC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO3/c1-21(2,3)16-8-6-15(7-9-16)18(13-20(25)26)23-19(24)12-14-4-10-17(22)11-5-14/h4-11,18H,12-13H2,1-3H3,(H,23,24)(H,25,26)/p-1/t18-/m0/s1
InChIKeyKCUDHBKZLOGBGM-SFHVURJKSA-M
XLogP3.18
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 5038466
(3S)-3-(4-tert-butylphenyl)-3-[(2,4-dichlorobenzoyl)amino]propanoate
CID 7305724
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 7045013
(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 2305123
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
(3S)-3-(4-tert-butylphenyl)-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 7310435
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
(3R)-3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1263720
2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
CID 110004204
(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6926226
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
The IUPAC name of (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate (CID 7300065) is (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate.
What is the SMILES notation for (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
The canonical SMILES for (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate is CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
The InChIKey is KCUDHBKZLOGBGM-SFHVURJKSA-M. The full InChI is InChI=1S/C21H24ClNO3/c1-21(2,3)16-8-6-15(7-9-16)18(13-20(25)26)23-19(24)12-14-4-10-17(22)11-5-14/h4-11,18H,12-13H2,1-3H3,(H,23,24)(H,25,26)/p-1/t18-/m0/s1.
What are the key properties of (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
(3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate has a molecular weight of 372.87 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate is sourced from PubChem (CID 7300065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).